1-adamantyl-[(2S)-3-(2-methoxy-4-methoxycarbonyl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 1-adamantyl-[(2S)-3-(2-methoxy-4-methoxycarbonyl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 1-adamantyl-[(2S)-2-hydroxy-3-(2-methoxy-4-methoxycarbonyl-phenoxy)propyl]ammonium CAS Name: 1-adamantyl-[(2S)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]ammonium IUPAC Name: 1-adamantyl-[(2S)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]azanium Traditional Name: 1-adamantyl-[(2S)-3-(4-carbomethoxy-2-methoxy-phenoxy)-2-hydroxy-propyl]ammonium Formula: C22H32NO5+ MolecularWeight: 390.49318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(C[NH2+]C23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OC[C@H](C[NH2+]C23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C22H31NO5/c1-26-20-8-17(21(25)27-2)3-4-19(20)28-13-18(24)12-23-22-9-14-5-15(10-22)7-16(6-14)11-22/h3-4,8,14-16,18,23-24H,5-7,9-13H2,1-2H3/p+1/t14?,15?,16?,18-,22?/m0/s1